SCHEMBL13482132

SCHEMBL13482132

COc1cc2c3c(c1OC)CCC3N(CCCNS(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.45
HTR1A P08908 4/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 2/20 0.43
DRD2 P14416 2/20 0.41
ADRA2A P08913 1/20 0.41
HTR6 P50406 1/20 0.41
DRD4 P21917 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.40
TRIM24 O15164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3184930 0.99 HTR7 (0.44) HTR7HTR1AHTR2AHTR2CDRD2
SCHEMBL13482105 0.97 HTR7 (0.46) HTR7HTR1AHTR2AHTR2CDRD2
Hydrochloric Acid SCHEMBL2309173 0.96 HTR7 (0.45) HTR7HTR1AHTR2AHTR2CDRD2
SCHEMBL13482143 0.91 HTR7 (0.41) HTR7HTR1AHTR2AHTR2CDRD2
Hydrochloric Acid SCHEMBL2307103 0.91 HTR7 (0.41) HTR7HTR1AHTR2AHTR2CDRD2
SCHEMBL13482244 0.90 HTR1A (0.49) HTR7HTR1AHTR2ADRD2ADRA2A
SCHEMBL13482115 0.89 HTR7 (0.42) HTR7HTR1AHTR2ADRD2ADRA2A
Hydrochloric Acid SCHEMBL2306339 0.89 HTR1A (0.49) HTR7HTR1AHTR2ADRD2ADRA2A
SCHEMBL2311125 0.88 HTR7 (0.42) HTR7HTR2AHTR2CDRD2HTR6
Hydrochloric Acid SCHEMBL2308729 0.88 HTR7 (0.41) HTR7HTR1AHTR2ADRD2ADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662862-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-16 US disclosed
US-7662862-B2 5-HT7 receptor antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-16 US disclosed
US-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS JOVER ANTONI TORRENS 2009-10-22 US disclosed
US-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS JOVER ANTONI TORRENS 2009-10-22 US disclosed
US-7553965-B2 Central nervous system disorders; compounds are 3-sulfonamidoalkyl 2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylenes LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-06-30 US disclosed
US-7553965-B2 Central nervous system disorders; compounds are 3-sulfonamidoalkyl 2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylenes LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2009-06-30 US disclosed
US-20090036480-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-02-05 US disclosed
US-20090036480-A1 5-Ht7 Receptor Antagonists LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264458-A1 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR1A, HTR2B HTR7 1/4885HTR1A 2/4885HTR2A 6/4885
US-20090036480-A1 5-Ht7 Receptor Antagonists HTR7, HTR1A, HTR2B HTR7 1/4885HTR1A 2/4885HTR2A 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.